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At least 1,405 records · Page 78

EQ-SANS Detector Distance Check with Laser Alignment Method

In Small-Angle Scattering experiments, accurate distance information between sample and the detector is important. During the winter outage, January 2021, positions of detector, especially along the beam direction, were measured with the laser alignment tool to confirm values regularly deduced from silver behenate measurements. The results show that the current detector-z position of the EQ-SANS is accurate at all typically used detector positions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of removal and spatial mark‐resight models for estimating wild pig density

Density estimation is critical to effectively manage invasive species and elucidate areas of highest concern. For wild pigs (Sus scrofa), the ability to estimate density is complicated because of their variable home range sizes and social structure. Common methods for estimating density (e.g., mark-recapture) may be unsuitable in management applications because additional data needs to be collected before and after management. Removal models offer a suitable alternative to estimate density changes following management and can be applied broadly across areas where management of wild pigs is ongoing. We collected wild pig removal and camera trap data from 25 private properties ranging in size from approximately 0.5 km 2 to 95 km 2 across 3 ecoregions in South Carolina, USA, from 2020–2023. We compared factors affecting consistency and precision of property-level density estimates between removal and spatial mark-resight (SMR) models. In general, excluding 1 large outlier, density estimates from removal models were between 0.60 and 15.85 wild pigs/km 2 (median = 5.34) with a median coefficient of variation (CV) of 0.76 and 95% confidence intervals for the CV between 0.70 and 0.94. Similarly, excluding 1 large outlier, density estimates from SMR were between 0.22 and 30.97 wild pigs/km 2 (median = 5.48) with a median CV of 0.39 and 95% confidence intervals for the CV between 0.38 and 1.20. We found the precision of removal models was affected primarily by the number of wild pigs dispatched in the removal period (3 months) and the ecoregion in which they were removed. None of the covariates, including the number of recaptures (a corresponding measure of sample size), influenced precision of the SMR models, although recaptures did influence the density estimates. At the individual property level, density estimates from our 2 estimators were dissimilar from each other in approximately 80% of instances, although none of the covariates we examined influenced dissimilarity. Our results provide unique insight into how sample size affects density estimates using 2 common methods and into novel SMR models that incorporate both marked and unmarked detections. In addition, the density estimates in this study can be used as a reference for wild pig densities in common land cover types throughout the southeastern United States.

60 APPLIED LIFE SCIENCES↗

Laser-Induced Spectrochemical Assay for Uranium Enrichment (LISA-UE)

Uranium hexafluoride (UF6) is the uranium compound typically involved in uranium enrichment process. As the first line of defense against nuclear proliferation, accurate determinations of the uranium enrichment ratio in UF6 are critical for materials verification, accounting and safeguards. Shipping gaseous UF6 samples off-site for analysis with mass spectrometry is cumbersome and costly, and results are not available for some time (months). In-field UF6 enrichment assay has the potential to substantially reduce the time, logistics and expense of sample handling. At present, COMPUCEA is the only accepted method for UF6 enrichment assay in the field. Laser-Induced Spectrochemical Assay for Uranium Enrichment (LISA-UE) is an all-optical (based on laser induced plasma emission) analytical technique intended for fieldable, accurate, precise and rapid UF6 enrichment assay. In its operation, laser induced plasma is created directly in the gaseous UF6 sample. Because different U isotopes emit at slightly different wavelengths, the isotopic information of the UF6 sample is inherently encoded in the atomic emission from the plasma. Isotopic emissions from 235U and 238U are measured simultaneously, which eliminate correlated noise from the laser induced plasma. Isotopic information of the UF6 sample can be extracted from the acquired spectrum with theoretical multi-variable non-linear spectral fitting. To date, advances made by the LISA-UE research team include optimization of the spectral window for direct gaseous UF6 enrichment assay with laser induced plasma, development of data reduction algorithms, and demonstrations of the LISA-UE technique with gaseous UF6 samples. In this presentation, the technical aspect of LISA-UE will be overviewed, the data reduction algorithm will be described, and performance of the technique will be discussed.

Chan, George↗

FLAMES─Fast, Low-Storage, Accurate, and Memory-Efficient Adaptive Sampling─Approach to Resolve Spatially Dependent Dynamics of Molecular Liquids

Many critical phenomena in soft matter occur at large length scales, necessitating the resolution of their structure and dynamics at low wavenumbers. However, resolving wavenumber-dependent dynamics computationally via molecular dynamics simulations presents significant challenges, as these phenomena span several orders of magnitude in both time and length scales, resulting in high computational costs and memory demands. Here, this work highlights the computational and memory challenges associated with analyzing molecular trajectories in reciprocal space and demonstrates a method to address them. We introduce FLAMESFast, Low-storage, Accurate, and Memory-Efficient adaptive Sampling, which is a direct method for calculation of structure factors, allowing us to select only the required number of wavevectors for binning. We also use wavenumber-dependent time steps to extract dynamics. Our FLAMES approach effectively mitigates computational and memory/storage bottlenecks. We demonstrate the method using simulations of a model system, liquid octane, at various temperatures. Comparisons with experimental data and real space computation show that the FLAMES technique achieves high accuracy in resolving temperature- and spatially dependent dynamics while being significantly more computationally efficient and requiring less memory and storage than methods based on a uniform wavevector grid and fixed temporal spacing.

Chen, Guang [Argonne National Laboratory (ANL), Ar↗

Second Harmonic Generation Electric Field Triplet Interferometry for Absolute Phasing

We report second harmonic generation (SHG) electric field triplet interferometry performed using three mutually coherent ultrafast pulses in a common path with controllable relative phases, namely, the light fields of a sample signal (SI), a reference oscillator (RO), and a local oscillator (LO). The ROLO phase determined from the interference of the light fields produced by two quartz wafers is subtracted from the phase determined from the SIROLO interferogram to yield the signal phase, ϕ SI . The new method also calibrates the measured SHG intensity from a given sample internally by sending the fundamental light field reflected from the sample into one of the quartz wafers in the ROLO element. The approach avoids having to exchange the sample against a reference material with a known χ(2) value or known phase and accounts on-the-fly for situations where the reflected fundamental light field intensity changes with experimental conditions. The new method is successfully benchmarked against z-cut α-quartz, fused silica held at its point of zero charge, and hematite nanolayers in air, across three different interferometers. Furthermore, the approach should be applicable for other second-order nonlinear spectroscopies, such as vibrational or electronic sum-frequency generation.

Interfaces↗

CAPS PMssa Aerosol Extinction and SSA Data

We collected rapid (1 second time response) measurements of aerosol extinction and scattering (Mm-1) using an Aerodyne CAPS PMssa deployed during LASIC (as part of the LASIC SSA-constraint study) to measure ambient SSA at 530 nm wavelength to compare with other optical measurement methods. Measured from August 4 to September 22, 2017. Sampled from both PM1 and PM10 inlets. CAPS PMssa monitors have been tested extensively for PM2.5 and smaller particle sizes, but not for particles greater than 2,500 nm in diameter (i.e., PM10). The data were collected in order to provide an independent measurement of aerosol single scattering albedo at 530 nm wavelength to compare with ARM standard methods.

54 ENVIRONMENTAL SCIENCES↗

Elemental analysis of air-sensitive frozen molten salt samples using an inert transfer chamber for LIBS/LA-ICP-TOF-MS analysis

A novel inert sample transfer system was developed and employed to enable, for the first time, the analysis of air-sensitive salt samples in a two-volume ablation cell using simultaneous laser-induced breakdown spectroscopy (LIBS) and laser ablation (LA)-inductively coupled plasma (ICP)-time-of-flight (TOF)-mass spectrometry (MS) analysis. Molten salts are of growing interest as a medium for advanced nuclear reactors and nuclear fuel reprocessing technologies continue to be developed around their use. However, compositional analysis of molten salt samples can be challenging because of their air-sensitive nature and varying solubilities leading to inaccurate measurements when digested. LA-based analysis provides an alternate method to digestion and can provide rapid elemental information with little sample preparation. In this study, LIBS and LA-ICP-TOF-MS were used to analyze the Ce content in frozen salt samples taken from a series of electrochemical experiments. Calibrations were built for each technique, and the resulting limits of detection for Ce were estimated to be 107 and 58 µg g −1 for LIBS and LA-ICP-TOF-MS, respectively. Test samples from the electrochemical experiments were analyzed using these calibrations. The results matched bulk digestion-based ICP-optical emission spectroscopy values, and daily trends in Ce concentration changes were identified. Additionally, the LIBS and LA-ICP-TOF-MS analysis was demonstrated for identifying microgram per gram levels of components and detecting trace contaminants. The impurities detected by LIBS included Al, Mg, Ca, and Na. The impurities detected by LA-ICP-TOF-MS included W, Ag, Al, Fe, Ni, Mo, Nd, Sm, Th, and U.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗

Removal of fission product tellurium and iodine from recently irradiated HEU using copper metal

Gamma detection of select fission products or activation products such as 153 Sm and 239 Np in a fission sample is difficult due to gamma interferences from radiotellurium and radioiodine. To aid in the detection of these difficult-to-detect nuclides, the radiotellurium and radioiodine were removed using Cu metal turnings. This method is highly effective at the removal of the interfering radionuclides removing > 98% of the radiotellurium and radioiodine. A mechanistic study was conducted. Determining the deposition mechanism, using a number of techniques including XANES and electrochemistry providing an understanding of the electrochemical path for the Te deposition. Initial work focused on the use of stable Te, further expanding into activated TeO 2 , and a fresh fission sample. Importantly, this method presents a rapid method for the direct detection of select fission products that could have a significant impact on nuclear related fields including nuclear forensics.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Quantum Search Approaches to Sampling-Based Motion Planning

In this paper, we present a novel formulation of traditional sampling-based motion planners as database-oracle structures that can be solved via quantum search algorithms. We consider two complementary scenarios: for simpler sparse environments, we formulate the Quantum Full Path Search Algorithm (q-FPS), which creates a superposition of full random path solutions, manipulates probability amplitudes with Quantum Amplitude Amplification (QAA), and quantum measures a single obstacle free full path solution. For dense unstructured environments, we formulate the Quantum Rapidly Exploring Random Tree algorithm, q-RRT, that creates quantum superpositions of possible parent-child connections, manipulates probability amplitudes with QAA, and quantum measures a single reachable state, which is added to a tree. As performance depends on the number of oracle calls and the probability of measuring good quantum states, we quantify how these errors factor into the probabilistic completeness properties of the algorithm. We then numerically estimate the expected number of database solutions to provide an approximation of the optimal number of oracle calls in the algorithm. We compare the q-RRT algorithm with a classical implementation and verify quadratic run-time speedup in the largest connected component of a 2D dense random lattice. We conclude by evaluating a proposed approach to limit the expected number of database solutions and thus limit the optimal number of oracle calls to a given number.

97 MATHEMATICS AND COMPUTING↗

Current measurements in the intermittent-contact mode of atomic force microscopy using the Fourier method: a feasibility analysis

Atomic force microscopy (AFM) is an important tool for measuring a variety of nanoscale surface properties, such as topography, viscoelasticity, electrical potential and conductivity. Some of these properties are measured using contact methods (static contact or intermittent contact), while others are measured using noncontact methods. Some properties can be measured using different approaches. Conductivity, in particular, is mapped using the contact-mode method. However, this modality can be destructive to delicate samples, since it involves continuously dragging the cantilever tip on the surface during the raster scan, while a constant tip–sample force is applied. In this paper we discuss a possible approach to develop an intermittent-contact conductive AFM mode based on Fourier analysis, whereby the measured current response consists of higher harmonics of the cantilever oscillation frequency. Such an approach may enable the characterization of soft samples with less damage than contact-mode imaging. To explore its feasibility, we derive the analytical form of the tip–sample current that would be obtained for attractive (noncontact) and repulsive (intermittent-contact) dynamic AFM characterization, and compare it with results obtained from numerical simulations. Although significant instrumentation challenges are anticipated, the modelling results are promising and suggest that Fourier-based higher-harmonics current measurement may enable the development of a reliable intermittent-contact conductive AFM method.

14 SOLAR ENERGY↗

Compaction of crushed salt for safe containment – overview of the KOMPASS project

Abstract. In Germany, rock salt formations are possible host rock candidates for a repository for heat-emitting radioactive waste. The safety concept of a repository in salt bases on a multibarrier system consisting mainly of the geological barrier salt and geotechnical seals ensuring safe containment. Crushed salt will be used for backfilling of cavities and sealing measures in drifts and shafts due to its favourable properties and its easy availability (mined-off material). The creep of the rock salt leads to crushed salt compaction with time. Thereby, the crushed salts' porosity is reduced from the initial porosity of 30 %–40 % to a value comparable to the porosity of undisturbed rock salt (≤1 %). In such low porosity ranges, technical impermeability is assumed. The compaction behaviour of crushed salt is rather complex and involves several coupled THM processes (Kröhn et al., 2017; Hansen et al., 2014). It is influenced by internal properties like humidity and grain size distribution, as well as boundary conditions such as temperature, compaction rate or stress state. However, the current process understanding has some important gaps referring to the material behaviour, experimental database and numerical modelling. It needs to be extended and validated, especially in the low porosity range. The objective of the KOMPASS project was development of methods and strategies for the reduction of deficits in the prediction of crushed salt compaction leading to an improvement of the prognosis quality. Key results are as follows (KOMPASS Phase 1, 2020): selection of an easily available and permanently producible synthetic crushed salt mixture, acting as a reference material for generic investigations; development and proof of different techniques for producing pre-compacted samples for further investigations; establishment of a tool of microstructure investigation methods to demonstrate the comparability of grain structures of pre-compacted samples with in-situ compacted material for future investigations; execution of various laboratory experiments using pre-compacted samples, e.g. long-term creep tests which deliver reliable information about time- and stress-dependent compaction behaviour; development of a complex experimental investigation strategy to derive necessary model parameters considering individual functional dependencies. Its technical feasibility was successfully verified; benchmarking with various existing numerical models using datasets from three different triaxial long-term tests. The result was not entirely satisfactory; however, the number of influencing factors is small and further validation work has to be done. Overall, the KOMPASS project has made significant progress in the approaches to solving the outstanding question, building the basis for further investigations.

Friedenberg, Larissa↗

Efficient learning of power grid voltage control strategies via model-based deep reinforcement learning

Here this article proposes a model-based deep reinforcement learning (DRL) method to design emergency control strategies for short-term voltage stability problems in power systems. Recent advances show promising results for model-free DRL-based methods in power systems control problems. But in power systems applications, these model-free methods have certain issues related to training time (clock time) and sample efficiency; both are critical for making state-of-the-art DRL algorithms practically applicable. DRL-agent learns an optimal policy via a trial-and-error method while interacting with the real-world environment. It is also desirable to minimize the direct interaction of the DRL agent with the real-world power grid due to its safety-critical nature. Additionally, the state-of-the-art DRL-based policies are mostly trained using a physics-based grid simulator where dynamic simulation is computationally intensive, lowering the training efficiency. We propose a novel model-based DRL framework where a deep neural network (DNN)-based dynamic surrogate model (SM), instead of a real-world power grid or physics-based simulation, is utilized within the policy learning framework, making the process faster and more sample efficient. However, having stable training in model-based DRL is challenging because of the complex system dynamics of large-scale power systems. We addressed these issues by incorporating imitation learning to have a warm start in policy learning, reward-shaping, and multi-step loss in surrogate model training. Finally, we achieved 97.5% reduction in samples and 87.7% reduction in training time for an application to the IEEE 300-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Practical considerations for amino acid isotope analysis

Over the last few decades, isotopic analysis of amino acids at the compound- and position-specific levels has been rapidly advancing across diverse fields. As these techniques progress, evaluation of isotopic fractionation associated with sample workup is essential. This critical review of analytical methods through the lens of isotope geochemistry provides a benchmark for researchers across disciplines seeking to make compound- and position-specific amino acid isotope measurements. We focus on preparation, acid hydrolysis, clean-up, derivatization, separation, and C, H, N, and S isotope measurement. Despite substantial customizability across these steps, the following general recommendations should maximize recovery while minimizing isotopic fractionation. Samples should be freeze-dried and stored anoxically at ≤ –20 °C prior to conventional acid hydrolysis (6N HCl, 110 °C, 20–24 h, anoxic), which suffices for many residues. Both gas and liquid chromatographic (GC and LC, respectively) techniques are well-established and separate about 15 amino acids; LC bypasses the need for derivatization, while GC provides higher sensitivity. Furthermore, when derivatization is needed, n-acetyl and alkoxycarbonyl esters provide the most reproducible C isotope ratios. For compound-specific analyses, online GC–IRMS and LC–IRMS systems offer the easiest workflow, but EA–IRMS enables potential multi-element isotope analysis. Emerging techniques like high-resolution mass spectrometry are also promising for multi-element analysis and recover position-specific isotopic information. Looking forward to the next decade of innovation, isotope geochemists and ecologists can improve amino acid isotope analysis by focusing on streamlining multi-element analysis and standardizing calibration practices across laboratories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hard x-ray methods for studying the structure of amorphous thin films and bulk glassy oxides

High-energy photon diffraction minimizes many of the corrections associated with laboratory x-ray diffractometers, and enables structure factor measurements to be made over a wide range of momentum transfers. The method edges us closer toward an ideal experiment, in which coordination numbers can be extracted without knowledge of the sample density. Three case studies are presented that demonstrate new hard x-ray methods for studying the structure of glassy and amorphous materials. First, the methodology and analysis of high-energy grazing incidence on thin films is discussed for the case of amorphous In 2 O 3 . Additionally, the connectivity of irregular InO 6 polyhedra are shown to exist in face-, edge- and corner-shared configurations in the approximate ratio of 1:2:3. Secondly, the technique of high-energy small and wide angle scattering has been carried out on laser heated and aerodynamically levitated samples of silica-rich barium silicate (20BaO:80SiO 2 ), from the single phase melt at 1500 C-o to the phase separated glass at room temperature. Based on Ba-O coordination numbers of 6 to 7, it is argued that the although the potential of Ba is ionic, it is weak enough to cause the liquid-liquid immiscibility to become metastable. Lastly, high-energy small and wide angle scattering has also been applied to high water content (up to 12 wt.%) samples of hydrous SiO 2 glass quenched from 1500 C-o at 4 GPa. An increase of Si 1 O 2 correlations at 4.3 angstrom is found to be consistent with an increase in the population of three-membered SiO 4 rings at the expense of larger rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Automated integration gate selection for Gaussian mixture model pulse shape discrimination

Pulse shapes differ between neutron and gamma particles when measured with detector devices employing pulse shape discriminating (PSD) scintillators. Digitized waveforms can be used in detection systems to perform pulse shape discrimination for this application. Prior Gaussian Mixture Model (GMM) methods require access to the pulse full-waveform. Reducing the waveform to a smaller set of combined samples reduces computational cost while affecting PSD performance. In this work, we develop a method for selecting the best performing combination of integration gates, or contiguous summed segments of the digitized pulse for PSD. The method uses a discrimination score based on the GMM PSD approach. Furthermore, the final selection is performed using Bayesian Optimization. PSD detection results are compared with varying numbers of selected gates on time-of-flight (TOF) data. This method can be used to fully automate the selection of gates in an unsupervised (without ground truth labels) setting.

42 ENGINEERING↗

Drying Spent Magnox Fuel for Interim Dry Storage

Spent Magnox fuel is usually stored under water for shielding and cooling following use in-reactor, but the storage water can react with Magnox clad fuel and cause corrosion and forms a sludge which generates a secondary waste product. One option to prevent unwanted corrosion and avoid expensive waste management is to dry the wet fuel. This project aims to test a drying process which will convert wet and corroded Magnox fuel to a stable form to demonstrate viability for conversion from wet to dry storage. Samples of corroded Magnox supplied by National Nuclear Laboratory. Corrosion product retrieved by various methods including dry scraping, ultrasonic treatment to form sludge and sludge drying to isolate suspension. TGA undertaken on Sample 1 and Sample 2, with brucite and hydromagnesite for comparison. Both samples showed ∼10% mass loss up to 250 deg. C attributable to water held in sample. Mass loss from dehydroxylation which liberates further water in both samples. TGA data plotted alongside chemically pure brucite and hydromagnesite shows expected similarities/differences between Sample 1(mostly brucite) and Sample 2 (brucite/hydromagnesite mixture). Following treatment, dried samples observed to slowly gain mass in ambient conditions. Presumed to be hygroscopic absorption of air water vapour as effect is reversible, with similar effect observed for hydromagnesite and brucite. Etched Magnox vacuum dried for 3.5 h at 90 deg. C to test for reaction with residual water - some discoloration but no noticeable corrosion observed. Drying etched Magnox metal to observe surface effects/corrosion during drying process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The eROSITA Final Equatorial-Depth Survey (eFEDS): Identification and characterization of the counterparts to point-like sources

In November 2019, eROSITA on board of the Spektrum-Roentgen-Gamma (SRG) observatory started to map the entire sky in X-rays. After the four-year survey program, it will reach a flux limit that is about 25 times deeper than ROSAT. During the SRG performance verification phase, eROSITA observed a contiguous 140 deg 2 area of the sky down to the final depth of the eROSITA all-sky survey (eROSITA Final Equatorial-Depth Survey; eFEDS), with the goal of obtaining a census of the X-ray emitting populations (stars, compact objects, galaxies, clusters of galaxies, and active galactic nuclei) that will be discovered over the entire sky. This paper presents the identification of the counterparts to the point sources detected in eFEDS in the main and hard samples and their multi-wavelength properties, including redshift. To identify the counterparts, we combined the results from two independent methods (NWAY and ASTROMATCH), trained on the multi-wavelength properties of a sample of 23k XMM-Newton sources detected in the DESI Legacy Imaging Survey DR8. Then spectroscopic redshifts and photometry from ancillary surveys were collated to compute photometric redshifts. Of the eFEDS sources, 24 774 of 27 369 have reliable counterparts (90.5%) in the main sample and 231 of 246 sources (93.9%) have counterparts in the hard sample, including 2514 (3) sources for which a second counterpart is equally likely. By means of reliable spectra, Gaia parallaxes, and/or multi-wavelength properties, we have classified the reliable counterparts in both samples into Galactic (2695) and extragalactic sources (22 079). For about 340 of the extragalactic sources, we cannot rule out the possibility that they are unresolved clusters or belong to clusters. Inspection of the distributions of the X-ray sources in various optical/IR colour-magnitude spaces reveal a rich variety of diverse classes of objects. The photometric redshifts are most reliable within the KiDS/VIKING area, where deep near-infrared data are also available. This paper accompanies the eROSITA early data release of all the observations performed during the performance and verification phase. Together with the catalogues of primary and secondary counterparts to the main and hard samples of the eFEDS survey, this paper releases their multi-wavelength properties and redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗

Acoustic mapping by picosecond ultrasonics for elastic property measurement: Experimental demonstration on a TRISO fuel compact

Picosecond ultrasonics has been demonstrated on a tristructural isotropic (TRISO) fuel compact to measure the elastic properties of each compact layer. This technique utilizes an ultrashort pump laser pulse to excite vibrations in a gold transducer film covering the surface of each component and a second probe laser pulse to record the resulting acoustic strain induced change in optical reflectance. From the damping of this film vibration, the acoustic reflection coefficient, which couples the elastic properties of the transducer film and the sample, can be obtained, enabling a calculation of the sample’s acoustic velocity and elastic modulus. Overall, results obtained from this method are consistent with known values of elastic moduli, namely that the SiC coating is the stiffest component of the compact while the carbonaceous matrix is the most compliant. Nanoindentation was conducted as a benchmark technique on the same sample and shows satisfactory agreement with the results of picosecond ultrasonics. Compared to other methods like nanoindentation, picosecond ultrasonics is multimodal with a capability of measuring several key properties simultaneously and has potentials to be coupled into optical fibers for remote sensing. Thus, these demonstration measurements reveal the methodology to be a promising candidate for in-situ and high-throughput optical characterizations of nuclear materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗